Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C(N)=NC(N)=N1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=MABNISKVRMEKMS-UHFFFAOYSA-N

Formula

C12H13N5O2

Mass

259.269

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Nitrobenzene - Nitroaromatic compound - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic zwitterion - Organic salt - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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